UCSF

ZINC40747019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.12 -6.12 -13.26 5 8 0 128 307.258 0
Hi High (pH 8-9.5) -1.12 -5.12 -60 4 8 -1 131 306.25 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )